4-[[4-(1-adamantyl)-3-methoxy-phenyl]carbonyloxymethyl]benzoic acid

Systemtic Name: 4-[[4-(1-adamantyl)-3-methoxy-phenyl]carbonyloxymethyl]benzoic acid Openeye Name: 4-[[4-(1-adamantyl)-3-methoxy-benzoyl]oxymethyl]benzoic acid CAS Name: 4-[[[4-(1-adamantyl)-3-methoxyphenyl]-oxomethoxy]methyl]benzoic acid IUPAC Name: 4-[[4-(1-adamantyl)-3-methoxybenzoyl]oxymethyl]benzoic acid Traditional Name: 4-[[4-(1-adamantyl)-3-methoxy-benzoyl]oxymethyl]benzoic acid Formula: C26H28O5 MolecularWeight: 420.49752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H28O5/c1-30-23-11-21(25(29)31-15-16-2-4-20(5-3-16)24(27)28)6-7-22(23)26-12-17-8-18(13-26)10-19(9-17)14-26/h2-7,11,17-19H,8-10,12-15H2,1H3,(H,27,28)